SCHEMBL12371753

SCHEMBL12371753

NCCCNc1ccc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
HTR3A P46098 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRKCQ Q04759 2/20 0.37
GPR18 Q14330 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12371690 0.88 BIRC2 (0.42) BIRC2TLR7GPR18
SCHEMBL12371660 0.84 PRKCQ (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12371727 0.81 PRKCQ (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12371797 0.77 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12371654 0.76 JAK2 (0.39) TLR7PRKCQ
SCHEMBL13608336 0.75 PIK3CD (0.42) TLR7PRKCQ
SCHEMBL12371668 0.75 JAK2 (0.45) TLR7PRKCQ
SCHEMBL12371772 0.74 PRKCQ (0.42) ALDH1A1MAPK1PRKCQ
SCHEMBL12371711 0.73 ADORA3 (0.44) TLR7POLB
SCHEMBL13608353 0.73 PRKCQ (0.42) TLR7PRKCQ

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ BIRC2 3863/4885ALDH1A1 2893/4885MAPT 3602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.